SCHEMBL6400050

SCHEMBL6400050

O=C(OC[C@H]1O[C@@H](c2nc3cc(C(F)(F)F)ccc3s2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 2/20 0.52
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTPN1 P18031 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HRAS P01112 1/20 0.39
▸ AKR1B1 P15121 6/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ NCS1 P62166 1/20 0.38
▸ AKR1A1 P14550 2/20 0.37
▸ AKR1B10 O60218 1/20 0.37
▸ GLO1 Q04760 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ GAPDH P04406 1/20 0.36
▸ TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6396728 0.89 P2RY2 (0.50) P2RY2MEN1KMT2AUSP2POLB
SCHEMBL6393923 0.86 MEN1 (0.48) P2RY2MEN1KMT2AUSP2POLB
SCHEMBL6395754 0.81 P2RY2 (0.49) P2RY2MEN1KMT2AUSP2POLB
SCHEMBL6397605 0.80 HRAS (0.53) P2RY2MEN1KMT2AUSP2POLB
Benzoic Acid SCHEMBL6400046 0.76 P2RY2 (0.60) P2RY2AKR1B1DYRK1ANCS1AKR1A1
SCHEMBL6394157 0.75 P2RY2 (0.49) P2RY2MEN1KMT2AUSP2POLB
SCHEMBL7170679 0.73 MEN1 (0.48) MEN1KMT2AUSP2POLBPTPN1
SCHEMBL6395433 0.72 P2RY2 (0.84) P2RY2AKR1B1DYRK1ANCS1
SCHEMBL11148936 0.71 MEN1 (0.46) MEN1KMT2AUSP2POLBPTPN1
SCHEMBL6252668 0.71 PTPN1 (0.68) MEN1KMT2AUSP2POLBPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2005-01-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 P2RY2 4/4885MEN1 1789/4885KMT2A 4767/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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